Information card for entry 2313012

Structure parameters

• Common name: Phenoquinone or <i>p</i>-benzoquinone–phenol (1/2)
• Chemical name: Cyclohexa-2,5-diene-1,4-dione; phenol; phenol
• Formula: C18 H16 O4
• Calculated formula: C18 H16 O4
• Title of publication: Solvent-free synthesis and low-temperature crystal structure of pheno-quinone (the 1:2 <i>p</i>-benzo-quinone-phenol complex).
• Authors of publication: Royappa, A. Timothy; Tan, Jake A.; Johnston, Dean H.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 7
• Pages of publication: 781 - 785
• a: 10.924 ± 0.004 Å
• b: 5.905 ± 0.002 Å
• c: 11.429 ± 0.004 Å
• α: 90°
• β: 100.203 ± 0.007°
• γ: 90°
• Cell volume: 725.6 ± 0.4 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No